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Chemical ID: 7687228

Cc1ccc(cc1)OCc2ccc(cc2)C(=O)Nc3cccc(c3)c4cnc5ccccc5n4

Chemical ID:

7687228

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)OCc2ccc(cc2)C(=O)Nc3cccc(c3)c4cnc5ccccc5n4

InChi [?]:

InChI=1/C29H23N3O2/c1-20-9-15-25(16-10-20)34-19-21-11-13-22(14-12-21)29(33)31-24-6-4-5-23(17-24)28-18-30-26-7-2-3-8-27(26)32-28/h2-18H,19H2,1H3,(H,31,33)

InChi Info:

AuxInfo=1/1/N:1,30,31,21,22,20,29,32,3,7,11,15,12,14,4,6,24,26,9,2,10,13,23,19,5,28,33,25,16,27,18,34,17,8/E:(9,10)(11,12)(13,14)(15,16)/rA:34nCCCCCCCOCCCCCCCCONCCCCCCCCNCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;d26;s27;s28;d29;s30;d31;d28s32;d25s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₃N₃O₂
All Atoms:	57
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	13.1296
Area:	707.369
Solvation:	-4.55458
Coulombic:	-42.9623

Bond Count [?]

All:	38
Single:	23
Double:	15
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.51
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value